1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone

C14H15N3OS — CID 736576

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H15N3OS/c1-16-9-7-15-14(16)19-10-13(18)17-8-6-11-4-2-3-5-12(11)17/h2-5,7,9H,6,8,10H2,1H3
InChIKeyDUDFYHSDBANYJX-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.10
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone

1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone (PubChem CID 736576) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
PubChem CID736576
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H15N3OS/c1-16-9-7-15-14(16)19-10-13(18)17-8-6-11-4-2-3-5-12(11)17/h2-5,7,9H,6,8,10H2,1H3
InChIKeyDUDFYHSDBANYJX-UHFFFAOYSA-N
XLogP2.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone (CID 736576) is 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone is Cn1ccnc1SCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The InChIKey is DUDFYHSDBANYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-16-9-7-15-14(16)19-10-13(18)17-8-6-11-4-2-3-5-12(11)17/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone has a molecular weight of 273.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 736576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).